3L3S
Crystal structure of an enoyl-CoA hydrotase/isomerase family protein from Silicibacter pomeroyi
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-09-25 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.403, 124.285, 146.999 |
| Unit cell angles | 90.00, 102.44, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.320 |
| R-factor | 0.291 |
| Rwork | 0.263 |
| R-free | 0.29400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2vx2 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.700 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.400 |
| High resolution limit [Å] | 2.320 | 2.320 |
| Rmerge | 0.136 | 0.776 |
| Number of reflections | 130351 | |
| <I/σ(I)> | 7.9 | |
| Completeness [%] | 99.4 | 97.2 |
| Redundancy | 6.8 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 0.2M Lithium sulfate; 0.1M HEPES pH 7.5; 25% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
